N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(3-chloro-N-mesyl-4-methoxy-anilino)butyramide Formula: C25H32ClN3O5S MolecularWeight: 522.05668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H32ClN3O5S/c1-34-23-14-13-19(18-21(23)26)29(35(2,32)33)17-9-12-24(30)27-22-11-6-5-10-20(22)25(31)28-15-7-3-4-8-16-28/h5-6,10-11,13-14,18H,3-4,7-9,12,15-17H2,1-2H3,(H,27,30)